66761441 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 17 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 10 10 10 11 11 12 12 14 14 14 15 15 15 16 16 18 18 19 19 20 20 21 21 21 22 23 24 24 24 17 9 13 6 9 10 13 14 35 7 11 8 12 9 25 26 13 27 28 16 29 17 30 15 31 32 18 33 34 17 36 19 20 22 37 23 38 22 23 24 39 40 41 42 43 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 2 7.1279 7.5013 5.5443 7.1441 4.5981 4.5981 5.5443 6.1279 5.855 3.732 3.732 6.8335 8.1226 8.4333 2.866 2.866 9.4118 9.7225 10.0796 11.3688 10.701 11.0582 12.3473 6.0817 5.2933 5.2411 5.8344 3.732 3.732 8.7364 8.1432 7.8195 8.4127 6.7301 2.3291 9.3084 9.887 10.8936 11.4722 12.2195 12.954 12.4752 3.2158 2.2158 0.9987 1.4111 -0.6961 1.7158 2.7158 3.0206 2.2158 0.4606 1.2158 3.2158 0.2544 -0.9024 -1.8529 1.7158 2.7158 -2.0591 -3.0096 -1.3148 -2.4715 -3.2158 -1.521 -2.6778 3.3298 3.5875 0.3732 -0.1591 0.5958 3.8358 -0.815 -0.2827 -1.9402 -2.4726 -1.1576 1.4058 -3.4711 -0.7255 -3.8052 -1.0596 -3.2844 -2.8056 -2.0711 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 11 12 16 18 18 19 20 21 21 7 11 12 16 17 17 19 20 22 23 22 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 462 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3000040000000000000000000000000160000000306000000000000058014000001E02100000000C0AC1982432C083C00000880225525000820000210700088881886688086032C197B1942008609600C8C8071C88C08E40004020000200008000804000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloro-2-oxo-indolin-1-yl)-N-[2-(p-tolyl)ethyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)-<I>N</I>-[2-(4-methylphenyl)ethyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)-N-[2-(4-methylphenyl)ethyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(5-chloro-2-keto-indolin-1-yl)-N-[2-(p-tolyl)ethyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H19ClN2O2/c1-13-2-4-14(5-3-13)8-9-21-18(23)12-22-17-7-6-16(20)10-15(17)11-19(22)24/h2-7,10H,8-9,11-12H2,1H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RAXNMIDNCQXNPH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.1135055 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H19ClN2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)CCNC(=O)CN2C(=O)CC3=C2C=CC(=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)CCNC(=O)CN2C(=O)CC3=C2C=CC(=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.1135055 24 0 0 0 0 0 0 0 1 -1